1-[1-[2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-quinazolin-3-yl]prop-1-en-2-ylamino]urea

Systemtic Name: 1-[1-[2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-quinazolin-3-yl]prop-1-en-2-ylamino]urea Openeye Name: [[1-methyl-2-[2-(morpholin-4-ium-4-ylmethyl)-4-oxo-quinazolin-3-yl]vinyl]amino]urea CAS Name: [1-[2-(4-morpholin-4-iumylmethyl)-4-oxo-3-quinazolinyl]prop-1-en-2-ylamino]urea IUPAC Name: [1-[2-(morpholin-4-ium-4-ylmethyl)-4-oxoquinazolin-3-yl]prop-1-en-2-ylamino]urea Traditional Name: [[2-[4-keto-2-(morpholin-4-ium-4-ylmethyl)quinazolin-3-yl]-1-methyl-vinyl]amino]urea Formula: C17H23N6O3+ MolecularWeight: 359.40292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CN1C(=NC2=CC=CC=C2C1=O)C[NH+]3CCOCC3)NNC(=O)N

Isomeric SMILES

CC(=CN1C(=NC2=CC=CC=C2C1=O)C[NH+]3CCOCC3)NNC(=O)N

InChI

InChI=1S/C17H22N6O3/c1-12(20-21-17(18)25)10-23-15(11-22-6-8-26-9-7-22)19-14-5-3-2-4-13(14)16(23)24/h2-5,10,20H,6-9,11H2,1H3,(H3,18,21,25)/p+1